4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine

C11H13N — CID 91343422

IUPAC4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine
SMILESC=CC=c1c(N)ccc(C)c1=C
InChIInChI=1S/C11H13N/c1-4-5-10-9(3)8(2)6-7-11(10)12/h4-7H,1,3,12H2,2H3
InChIKeyIFQATUMQJXRJFI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.95
Rot. Bonds1

About 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine

4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine (PubChem CID 91343422) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine
PubChem CID91343422
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine
SMILESC=CC=c1c(N)ccc(C)c1=C
InChIInChI=1S/C11H13N/c1-4-5-10-9(3)8(2)6-7-11(10)12/h4-7H,1,3,12H2,2H3
InChIKeyIFQATUMQJXRJFI-UHFFFAOYSA-N
XLogP0.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine (CID 91343422) is 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine is C=CC=c1c(N)ccc(C)c1=C.
What is the InChIKey of 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is IFQATUMQJXRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-5-10-9(3)8(2)6-7-11(10)12/h4-7H,1,3,12H2,2H3.
What are the key properties of 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine?
4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 91343422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).